Biomedical subjects

David R Heine

Publications and source records attributed to David R Heine.

7 recordsLinked to original sources

PubMed2006

Liquid nanodroplets spreading on chemically patterned surfaces.

Controlling the spatial distribution of liquid droplets on surfaces via surface energy patterning can be used to deliver material to specified regions via selective liquid/solid wetting. Although studies of the equilibrium shape of liquid droplets on heterogeneous substrates exist, much less is known about the corresponding wetting kinetics. Here we present large-scale atomistic simulations of liquid nanodroplets spreading on chemically patterned surfaces. Results are presented for lines of polymer liquid (droplets) on substrates consisting of alternating strips of wetting (equilibrium contact angle theta0 = 0 degrees) and nonwetting (theta0 approximately 90 degrees) material. Droplet spreading is compared for different wavelength lambda of the pattern and strength of surface interaction on the wetting strips. For small lambda, droplets partially spread on both the wetting and nonwetting regions of the substrate to attain a finite contact angle less than 90 degrees. In this case, the extent of spreading depends on the interaction strength in the wetting regions. A transition is observed such that, for large lambda, the droplet spreads only on the wetting region of the substrate by pulling material from nonwetting regions. In most cases, a precursor film spreads on the wetting portion of the substrate at a rate strongly dependent on the width of the wetting region.

Journal Article↗

PubMed2005

Surface wetting of liquid nanodroplets: droplet-size effects.

The spreading of liquid nanodroplets of different initial radii R0 is studied using molecular dynamics simulation. Results for two distinct systems, Pb on Cu(111), which is nonwetting, and a coarse-grained polymer model, which wets the surface, are presented for Pb droplets ranging in size from approximately 55,000 to 220,000 atoms and polymer droplets ranging in size from approximately 200,000 to 780 000 monomers. In both cases, a precursor foot precedes the spreading of the main droplet. This precursor foot spreads as r(2)(f)(t) = 2D(eff)t with an effective diffusion constant that exhibits a droplet-size dependence D(eff) approximately R(1/2)(0). The radius of the main droplet r(b)(t) approximately R(4/5)(0) is in agreement with kinetic models for the cylindrical geometry studied.

Journal Article↗

PubMed2005

Diverse spreading behavior of binary polymer nanodroplets.

Molecular dynamics simulations are used to study the spreading of binary polymer nanodroplets in a cylindrical geometry. The polymers, described by the bead-spring model, spread on a flat surface with a surface-coupled Langevin thermostat to mimic the effects of a corrugated surface. Each droplet consists of chains of length 10 or 100 monomers with approximately 350,000 monomers total. The qualitative features of the spreading dynamics are presented for differences in chain length, surface interaction strength, and composition. When the components of the droplet differ only in the surface interaction strength, the more strongly wetting component forms a monolayer film on the surface even when both materials are above or below the wetting transition. In the case where the only difference is the polymer chain length, the monolayer film beneath the droplet is composed of an equal amount of short chain and long chain monomers even when one component (the shorter chain length) is above the wetting transition and the other is not. The fraction of short and long chains in the precursor foot depends on whether both the short and the long chains are in the wetting regime. Diluting the concentration of the strongly wetting component in a mixture with a weakly wetting component decreases the rate of diffusion of the wetting material from the bulk to the surface and limits the spreading rate of the precursor foot, but the bulk spreading rate actually increases when both components are present. This may be due to the strongly wetting material pushing out the weakly wetting material as it moves toward the precursor foot.

Journal Article↗

PubMed2004

Invariance of density correlations with charge density in polyelectrolyte solutions.

We present a theory for the equilibrium structure of polyelectrolyte solutions. A simple and general optimization method is introduced that enables theories such as the random phase approximation to handle the strong repulsive forces present in such systems. Quantitative comparison is made with data from recent neutron-scattering experiments of randomly charged, hydrophilic polymers in salt-free, semidilute solution at various charge densities. We show that the invariance observed at high charge fraction may be the result of polymer-polymer correlations, rather than the conventional explanations involving counterion condensation.

Journal Article↗

PubMed2004

Spreading dynamics of polymer nanodroplets in cylindrical geometries.

The spreading of one- and two-component polymer nanodroplets is studied using molecular dynamics simulation in a cylindrical geometry. The droplets consist of polymer chains of length 10, 40, and 100 monomers per chain described by the bead-spring model spreading on a flat surface with a surface-coupled Langevin thermostat. Each droplet contains approximately 350,000 monomers. The dynamics of the individual components of each droplet is analyzed and compared to the dynamics of single-component droplets for the spreading rates of the precursor foot and bulk droplet, the time evolution of the contact angle, and the velocity distribution inside the droplet. We derive spreading models for the cylindrical geometry analogous to the kinetic and hydrodynamic models previously developed for the spherical geometry, and show that hydrodynamic behavior is observed at earlier times for the cylindrical geometry. The contact radius is predicted to scale as r(t) approximately t1/5 from the kinetic model and r (t) approximately t1/7 for the hydrodynamic model in the cylindrical geometry.

Journal Article↗

PubMed2003

Spreading dynamics of polymer nanodroplets.

The spreading of polymer droplets is studied using molecular dynamics simulations. To study the dynamics of both the precursor foot and the bulk droplet, large hemispherical drops of 200 000 monomers are simulated using a bead-spring model for polymers of chain length 10, 20, and 40 monomers per chain. We compare spreading on flat and atomistic surfaces, chain length effects, and different applications of the Langevin and dissipative particle dynamics thermostats. We find diffusive behavior for the precursor foot and good agreement with the molecular kinetic model of droplet spreading using both flat and atomistic surfaces. Despite the large system size and long simulation time relative to previous simulations, we find that even larger systems are required to observe hydrodynamic behavior in the hemispherical spreading droplet.

Journal Article↗

PubMed2003

Precursor film controlled wetting of Pb on Cu.

Wetting in a system where the kinetics of drop spreading are controlled by the rate of formation of a precursor film is modeled for the first time at the atomistic scale. Molecular dynamics simulations of Pb(l) wetting Cu(111) and Cu(100) show that a precursor film of atomic thickness evolves and spreads diffusively. This precursor film spreads significantly faster on Cu(111) than on Cu(100). For Cu(100), the kinetics of drop spreading are dramatically decreased by slow advancement of the precursor film. Slow precursor film kinetics on Cu(100) are partly due to the formation of a surface alloy at the solid-liquid interface which does not occur on Cu(111).

Journal Article↗